N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide

C21H20F6N2O — CID 59438509

IUPACN-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)(c2ccccc2)C1
InChIInChI=1S/C21H20F6N2O/c1-29-11-5-10-19(13-29,14-6-3-2-4-7-14)28-18(30)16-9-8-15(20(22,23)24)12-17(16)21(25,26)27/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,28,30)
InChIKeyQMPUPYNDKXBPIU-UHFFFAOYSA-N
MW430.39 g/mol
LogP5.08
Rot. Bonds3

About N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide

N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide (PubChem CID 59438509) has the molecular formula C21H20F6N2O and a molecular weight of 430.39 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide
PubChem CID59438509
Molecular FormulaC21H20F6N2O
Molecular Weight430.39 g/mol
Exact Mass430.15
IUPAC NameN-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)(c2ccccc2)C1
InChIInChI=1S/C21H20F6N2O/c1-29-11-5-10-19(13-29,14-6-3-2-4-7-14)28-18(30)16-9-8-15(20(22,23)24)12-17(16)21(25,26)27/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,28,30)
InChIKeyQMPUPYNDKXBPIU-UHFFFAOYSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide (CID 59438509) is N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide is CN1CCCC(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)(c2ccccc2)C1.
What is the InChIKey of N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is QMPUPYNDKXBPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O/c1-29-11-5-10-19(13-29,14-6-3-2-4-7-14)28-18(30)16-9-8-15(20(22,23)24)12-17(16)21(25,26)27/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,28,30).
What are the key properties of N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide?
N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 430.39 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpiperidin-3-yl)-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 59438509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).